LDA+U potential added for atom type 1 L= 2 spin up ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :e__0001: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3310 APW+lo :E0_0001: E( 0)= -5.7640 E(BOTTOM)= -5.772 E(TOP)= -5.756 LOCAL ORBITAL :E1_0001: E( 1)= 0.4390 APW+lo :E1_0001: E( 1)= -3.2850 E(BOTTOM)= -3.309 E(TOP)= -3.261 LOCAL ORBITAL :E2_0001: E( 2)= 0.5080 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sb :e__0002: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3790 APW+lo :E0_0002: E( 0)= -0.0850 LOCAL ORBITAL :E1_0002: E( 1)= 0.4130 APW+lo :E1_0002: E( 1)= -6.5150 E(BOTTOM)= -6.537 E(TOP)= -6.493 LOCAL ORBITAL :E2_0002: E( 2)= 0.4760 APW+lo :E2_0002: E( 2)= -1.5040 LOCAL ORBITAL K= 0.50000 0.50000 0.46531 :RKM : MATRIX SIZE 714LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142362 -6.5142362 -6.5141968 -6.5141968 -6.5119863 :EIG00006: -6.5119863 -6.5116755 -6.5116755 -6.5045475 -6.5045475 :EIG00011: -6.5045250 -6.5045250 -5.7618530 -5.7618530 -3.3049059 :EIG00016: -3.3049059 -3.2771171 -3.2771171 -3.2564216 -3.2564216 :EIG00021: -1.5117872 -1.5117872 -1.5104896 -1.5104896 -1.5080221 :EIG00026: -1.5080221 -1.5050050 -1.5050050 -1.5044254 -1.5044254 :EIG00031: -1.5022498 -1.5022498 -1.5011543 -1.5011543 -1.4992888 :EIG00036: -1.4992888 -1.4984431 -1.4984431 -1.4971476 -1.4971476 :EIG00041: -0.0583513 -0.0583513 0.0353831 0.0353831 0.2188091 :EIG00046: 0.2188091 0.2362474 0.2362474 0.4340969 0.4340969 :EIG00051: 0.4641375 0.4641375 0.4769702 0.4769702 0.5012597 :EIG00056: 0.5012597 0.5889876 0.5889876 0.6606244 0.6606244 :EIG00061: 0.7588685 0.7588685 0.8136448 0.8136448 0.8233735 :EIG00066: 0.8233735 0.9922118 0.9922118 0.9951766 0.9951766 :EIG00071: 1.0757453 1.0757453 1.0786107 1.0786107 1.4169403 :EIG00076: 1.4169403 1.4384277 1.4384277 1.4868354 1.4868354 :EIG00081: 1.5596955 1.5596955 1.7293134 1.7293134 1.7771200 :EIG00086: 1.7771200 1.9263262 1.9263262 1.9722638 1.9722638 ******************************************************** :KPT : NUMBER OF K-POINTS: 499